cxylin0480
     RDKit          3D

 44 45  0  0  1  0  0  0  0  0999 V2000
    4.1436    2.6906    0.0731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9130    0.2120    0.6322 C   0  0  0  0  0  3  0  0  0  0  0  0
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   -4.5128   -0.4211    0.1657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2992   -1.3523    0.3077 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.0505   -0.8789    0.1153 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.1028    1.9032   -0.7545 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.2103   -2.4201    0.4793 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.2463   -3.5935    0.6723 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.3725   -3.4963    1.8141 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.8365   -2.8772    0.5097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3868   -4.7403    0.9408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1820    0.6730    0.5432 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0665    1.3329    0.2095 N   0  0  0  0  0  2  0  0  0  0  0  0
   -8.3433    2.4263   -0.9013 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5197   -4.5726    1.9057 N   0  0  0  0  0  2  0  0  0  0  0  0
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   -0.7139   -5.7956    0.4240 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9602   -1.5429    0.6248 N   0  0  0  0  0  2  0  0  0  0  0  0
    1.8077    1.1597   -0.2946 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9766    1.9203    0.9657 C   0  0  0  0  0  1  0  0  0  0  0  0
    2.0379   -3.0155    3.0223 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.1747   -2.3239    4.1853 C   0  0  0  0  0  1  0  0  0  0  0  0
    3.2008   -3.8532    3.7128 C   0  0  0  0  0  1  0  0  0  0  0  0
    4.2062   -1.5506   -0.4417 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.4727   -2.2733   -1.0479 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.7186   -3.0017   -1.6657 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.8589   -3.7678   -2.2163 N   0  0  0  0  0  2  0  0  0  0  0  0
    8.6164   -3.1541   -3.1162 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5360   -1.6967   -3.2823 N   0  0  0  0  0  1  0  0  0  0  0  0
    9.4390   -3.6932   -3.8586 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0786    3.5956    0.1890 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.2447    4.9784    0.0419 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.5045    5.5225   -0.2007 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5921    4.6599   -0.2717 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.4013    3.2789   -0.1372 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.8738    8.3527   -0.3921 O   0  0  0  0  0  1  0  0  0  0  0  0
    4.6848    6.9471   -0.3000 C   0  0  0  0  0  2  0  0  0  0  0  0
  -11.0086    3.8517   -0.1522 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6922    1.7959   -1.4561 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0
  1 36  2  0
  2  6  2  0
  2 17  1  0
  3 10  1  0
  3 18  1  0
  3 24  2  0
  4  5  1  0
  4 43  2  0
  5 17  2  0
  5 19  1  0
  6  7  1  0
  6 11  1  0
  7  8  3  0
  8  9  1  0
  9 12  1  0
 10 29  1  0
 11 19  2  0
 12 13  1  0
 13 16  1  0
 14 15  1  0
 14 20  1  0
 14 26  1  0
 15 21  2  0
 16 20  1  0
 16 22  2  0
 23 10  1  0
 23 15  1  0
 25  4  1  0
 26 27  1  0
 26 28  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  2  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 38 42  1  0
 39 40  2  0
 40  1  1  0
 42 41  1  0
 44  4  2  0
M  RAD  8   2   2   9   3  10   2  11   2  12   3  13   3  14   2  18   2
M  RAD  8  20   2  23   2  25   2  26   2  27   2  28   2  29   3  30   3
M  RAD  8  31   3  32   2  34   3  36   2  37   2  39   2  40   2  41   2
M  RAD  1  42   3
M  END
$$$$
